CID 107629348

8-bromo-5-fluoroquinolin-2-amine

Structural Information

Molecular Formula
C9H6BrFN2
SMILES
C1=CC(=NC2=C(C=CC(=C21)F)Br)N
InChI
InChI=1S/C9H6BrFN2/c10-6-2-3-7(11)5-1-4-8(12)13-9(5)6/h1-4H,(H2,12,13)
InChIKey
LYJJRLLBEPCVSZ-UHFFFAOYSA-N
Compound name
8-bromo-5-fluoroquinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.96983 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.97711 141.6
[M+Na]+ 262.95905 155.1
[M-H]- 238.96255 146.4
[M+NH4]+ 258.00365 162.5
[M+K]+ 278.93299 142.7
[M+H-H2O]+ 222.96709 140.3
[M+HCOO]- 284.96803 161.6
[M+CH3COO]- 298.98368 156.6
[M+Na-2H]- 260.94450 150.3
[M]+ 239.96928 157.9
[M]- 239.97038 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.